Thiocarbamizine
TL;DR: Thiocarbamizine (CAS 91-71-4) is a chemical compound with molecular formula C21H17AsN2O5S2 and molecular weight 515.9795 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(carbamoylamino)phenyl]-(2-carboxyphenyl)sulfanylarsanyl]sulfanylbenzoic acid
Also Known As: Thiocarbamizine, Thiocarbamisin, THIO-CARBAMISIN, Chemotherapy Center No. 1037, THIOCARBAMIZINE [MI]
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H17AsN2O5S2 |
| Molecular Weight | 515.9795 g/mol |
| XLogP | 3.85 |
| Topological Polar Surface Area (TPSA) | 180.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.9795 Da |
| Heavy Atoms | 31 |
| Complexity | 611.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)S[As](C2=CC=C(C=C2)NC(=O)N)SC3=CC=CC=C3C(=O)O |
| InChIKey | HVHVTGIAAGQNOB-UHFFFAOYSA-N |
Product Description
Applications: Thiocarbamizine is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Thiocarbamizine (CAS 91-71-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Thiocarbamizine (CAS 91-71-4) is a pharmaceutical intermediate with the molecular formula C21H17AsN2O5S2 and a molecular weight of 515.98 g/mol. It is also known as Thiocarbamizine and Thiocarbamisin.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Thiocarbamizine
Property Insights of Thiocarbamizine
The XLogP value of 3.85 indicates that Thiocarbamizine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.0 Ų indicates high polarity, suggesting Thiocarbamizine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiocarbamizine has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Thiocarbamizine?
The CAS number of Thiocarbamizine is 91-71-4.
What is the molecular formula of Thiocarbamizine?
The molecular formula of Thiocarbamizine is C21H17AsN2O5S2.
What is the molecular weight of Thiocarbamizine?
The molecular weight of Thiocarbamizine is 515.9795 g/mol.
What are the applications of Thiocarbamizine?
Thiocarbamizine is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Thiocarbamizine (CAS 91-71-4) with custom synthesis available...
Where can I buy Thiocarbamizine?
You can request a quote for Thiocarbamizine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiocarbamizine?
Yes, CoreyChem provides custom synthesis services for Thiocarbamizine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.